N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C22H22N4O3S3 — CID 27712069

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)n1
InChIInChI=1S/C22H22N4O3S3/c1-15-13-30-22(24-15)31-14-16-7-9-17(10-8-16)21(27)25-18-4-2-5-19(12-18)32(28,29)26-20-6-3-11-23-20/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,26)(H,25,27)
InChIKeyIHVONYDMFSSABK-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.47
Rot. Bonds7

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 27712069) has the molecular formula C22H22N4O3S3 and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID27712069
Molecular FormulaC22H22N4O3S3
Molecular Weight486.64 g/mol
Exact Mass486.09
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)n1
InChIInChI=1S/C22H22N4O3S3/c1-15-13-30-22(24-15)31-14-16-7-9-17(10-8-16)21(27)25-18-4-2-5-19(12-18)32(28,29)26-20-6-3-11-23-20/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,26)(H,25,27)
InChIKeyIHVONYDMFSSABK-UHFFFAOYSA-N
XLogP4.47
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
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N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
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CID 55577334
N-(3-acetamido-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
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4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 17497520
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
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3-[(3-methylphenyl)methoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 27712069) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is Cc1csc(SCc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)n1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is IHVONYDMFSSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S3/c1-15-13-30-22(24-15)31-14-16-7-9-17(10-8-16)21(27)25-18-4-2-5-19(12-18)32(28,29)26-20-6-3-11-23-20/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 486.64 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 27712069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).